DOI: 10.1016/j.atmosenv.2015.03.011
Scopus记录号: 2-s2.0-84926038810
论文题名: Kinetics of the gas-phase reaction between ozone and three unsaturated oxygenated compounds: Ethyl 3,3-dimethyl acrylate, 2-methyl-2-pentenal and 6-methyl-5-hepten-2-one at atmospheric pressure
作者: Gaona Colmán E ; , Blanco M ; B ; , Barnes I ; , Teruel M ; A
刊名: Atmospheric Environment
ISSN: 0168-2563
EISSN: 1573-515X
出版年: 2015
卷: 109 起始页码: 272
结束页码: 278
语种: 英语
英文关键词: Ozonolysis
; Rate coefficients
; Relative kinetic method
; Tropospheric chemistry
; Unsaturated oxygenated compounds
Scopus关键词: Atmospheric pressure
; Chemical compounds
; Chemical reactions
; Environmental chambers
; Gases
; Ketones
; Kinetics
; Molecular orbitals
; Molecules
; Ozone
; Phase interfaces
; Reaction kinetics
; Rural areas
; Oxygenated compounds
; Ozonolysis
; Rate coefficients
; Relative kinetics
; Tropospheric chemistry
; Unsaturated compounds
; 2 methyl 2 pentenal
; 6 methyl 5 hepten 2 one
; alcohol derivative
; aldehyde
; alkene derivative
; ester
; ether derivative
; ethyl 3,3 dimethyl acrylate
; ketone
; methyl group
; ozone
; unclassified drug
; volatile organic compound
; atmospheric chemistry
; mathematical analysis
; molecular analysis
; organic compound
; oxygen
; oxygenation
; ozone
; reaction kinetics
; troposphere
; Article
; atmospheric pressure
; chemical reaction
; chemical structure
; energy
; gas
; gas phase reaction
; kinetics
; oxygenation
; ozonolysis
; priority journal
Scopus学科分类: Environmental Science: Water Science and Technology
; Earth and Planetary Sciences: Earth-Surface Processes
; Environmental Science: Environmental Chemistry
英文摘要: Rate coefficients for the gas-phase reactions of O3 molecules with three unsaturated oxygenated compounds have been determined using the relative kinetic technique in an environmental chamber with FTIR detection of the reactants at (298±2) K in 760 Torr total pressure of synthetic air. The following rate coefficients (in units of 10-17cm3molecule-1s-1) were determined: ethyl 3,3-dimethyl acrylate (0.82±0.19), 2-methyl-2-pentenal (0.71±0.16) and 6-methyl-5-hepten-2-one (26±7).The different reactivity of the unsaturated oxygenated compounds toward O3 is discussed in terms of their chemical structure. In addition, a correlation between the reactivity of structurally different unsaturated compounds (alkenes and unsaturated oxygenated VOCs, such as ethers, esters, aldehydes, ketones and alcohols) toward O3 molecules and the HOMO (Highest Occupied Molecular Orbital) of the compounds is presented.Using the kinetic parameters determined in this work, residence times of these unsaturated compounds in the atmosphere with respect to reaction with O3 have been calculated. In urban and rural areas the main sink of 6-methyl-5-hepten-2-one is reaction with O3 molecules with a residence time in the order of few minutes. © 2015 Elsevier Ltd. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/81802
Appears in Collections: 气候变化事实与影响
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作者单位: Instituto de Investigaciones en Fisicoquímica de Córdoba (I.N.F.I.Q.C.), CONICET, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba, Argentina; Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Asuncion, Campus Universitario, San Lorenzo, Paraguay; Physikalische and Theoretische Chemie/FBC, Bergische Universitaet Wuppertal, Wuppertal, Germany
Recommended Citation:
Gaona Colmán E,, Blanco M,B,et al. Kinetics of the gas-phase reaction between ozone and three unsaturated oxygenated compounds: Ethyl 3,3-dimethyl acrylate, 2-methyl-2-pentenal and 6-methyl-5-hepten-2-one at atmospheric pressure[J]. Atmospheric Environment,2015-01-01,109